CHEMBL575027


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(C#Cc4ccccn4)nc32)[C@H](O)[C@@H]1O
InChIKey VICVZCMBYDYFRR-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 409.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 9.4 9.4 9.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.61 4.61 4.61 ChEMBL
A1 AA1R Human Adenosine A pKi 5.06 5.06 5.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.34 7.34 7.34 ChEMBL